propyl 5-butanoyl-2,6-dimethyl-4-(3-methyl-2-methylsulfanyl-imidazol-4-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propyl 5-butanoyl-2,6-dimethyl-4-(3-methyl-2-methylsulfanyl-imidazol-4-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: propyl 5-butanoyl-2,6-dimethyl-4-(3-methyl-2-methylsulfanyl-imidazol-4-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[3-methyl-2-(methylthio)-4-imidazolyl]-5-(1-oxobutyl)-1,4-dihydropyridine-3-carboxylic acid propyl ester IUPAC Name: propyl 5-butanoyl-2,6-dimethyl-4-(3-methyl-2-methylsulfanylimidazol-4-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-butyryl-2,6-dimethyl-4-[3-methyl-2-(methylthio)imidazol-4-yl]-1,4-dihydropyridine-3-carboxylic acid propyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NC(=C(C1C2=CN=C(N2C)SC)C(=O)OCCC)C)C

Isomeric SMILES

CCCC(=O)C1=C(NC(=C(C1C2=CN=C(N2C)SC)C(=O)OCCC)C)C

InChI

InChI=1S/C20H29N3O3S/c1-7-9-15(24)16-12(3)22-13(4)17(19(25)26-10-8-2)18(16)14-11-21-20(27-6)23(14)5/h11,18,22H,7-10H2,1-6H3